2-(N-acetyl-4-propan-2-ylanilino)-N-benzyl-N-propan-2-ylacetamide

C23H30N2O2 — CID 113169817

IUPAC2-(N-acetyl-4-propan-2-ylanilino)-N-benzyl-N-propan-2-ylacetamide
SMILESCC(=O)N(CC(=O)N(Cc1ccccc1)C(C)C)c1ccc(C(C)C)cc1
InChIInChI=1S/C23H30N2O2/c1-17(2)21-11-13-22(14-12-21)25(19(5)26)16-23(27)24(18(3)4)15-20-9-7-6-8-10-20/h6-14,17-18H,15-16H2,1-5H3
InChIKeyAQVSIAJIYOELSK-UHFFFAOYSA-N
MW366.51 g/mol
LogP4.60
Rot. Bonds7

About 2-(N-acetyl-4-propan-2-ylanilino)-N-benzyl-N-propan-2-ylacetamide

2-(N-acetyl-4-propan-2-ylanilino)-N-benzyl-N-propan-2-ylacetamide (PubChem CID 113169817) has the molecular formula C23H30N2O2 and a molecular weight of 366.51 g/mol. Its IUPAC name is 2-(N-acetyl-4-propan-2-ylanilino)-N-benzyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(N-acetyl-4-propan-2-ylanilino)-N-benzyl-N-propan-2-ylacetamide
PubChem CID113169817
Molecular FormulaC23H30N2O2
Molecular Weight366.51 g/mol
Exact Mass366.23
IUPAC Name2-(N-acetyl-4-propan-2-ylanilino)-N-benzyl-N-propan-2-ylacetamide
SMILESCC(=O)N(CC(=O)N(Cc1ccccc1)C(C)C)c1ccc(C(C)C)cc1
InChIInChI=1S/C23H30N2O2/c1-17(2)21-11-13-22(14-12-21)25(19(5)26)16-23(27)24(18(3)4)15-20-9-7-6-8-10-20/h6-14,17-18H,15-16H2,1-5H3
InChIKeyAQVSIAJIYOELSK-UHFFFAOYSA-N
XLogP4.60
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(N-acetyl-4-propan-2-ylanilino)-N-benzyl-N-propan-2-ylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-benzyl-N-propan-2-ylacetamide
CID 113178449
2-[acetyl(1-phenylethyl)amino]-N-benzyl-N-propan-2-ylacetamide
CID 113162014
2-[acetyl(butan-2-yl)amino]-N-benzyl-N-propan-2-ylacetamide
CID 113159086
N-benzyl-N-propan-2-ylacetamide
CID 23534449
methyl 2-[acetyl-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]amino]benzoate
CID 113176097
2-(N-acetyl-2,4-difluoroanilino)-N-benzyl-N-propan-2-ylacetamide
CID 113178994
N'-benzyl-N'-propan-2-yl-N-(4-propan-2-ylphenyl)propanediamide
CID 108951690
2-(N-acetyl-4-propan-2-ylanilino)-N-phenylacetamide
CID 113169827
methyl 4-[acetyl-[3-[benzyl(propan-2-yl)amino]-3-oxopropyl]amino]benzoate
CID 113131513
N-benzyl-2-[benzyl(ethyl)amino]-N-propan-2-ylacetamide
CID 108998910
N-[2-(N-acetyl-4-propan-2-ylanilino)ethyl]-3-phenylpropanamide
CID 113058709
N-benzyl-4-methyl-N-propan-2-ylpentanamide
CID 86978961

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-4-propan-2-ylanilino)-N-benzyl-N-propan-2-ylacetamide?
The IUPAC name of 2-(N-acetyl-4-propan-2-ylanilino)-N-benzyl-N-propan-2-ylacetamide (CID 113169817) is 2-(N-acetyl-4-propan-2-ylanilino)-N-benzyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(N-acetyl-4-propan-2-ylanilino)-N-benzyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-(N-acetyl-4-propan-2-ylanilino)-N-benzyl-N-propan-2-ylacetamide is CC(=O)N(CC(=O)N(Cc1ccccc1)C(C)C)c1ccc(C(C)C)cc1.
What is the InChIKey of 2-(N-acetyl-4-propan-2-ylanilino)-N-benzyl-N-propan-2-ylacetamide?
The InChIKey is AQVSIAJIYOELSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O2/c1-17(2)21-11-13-22(14-12-21)25(19(5)26)16-23(27)24(18(3)4)15-20-9-7-6-8-10-20/h6-14,17-18H,15-16H2,1-5H3.
What are the key properties of 2-(N-acetyl-4-propan-2-ylanilino)-N-benzyl-N-propan-2-ylacetamide?
2-(N-acetyl-4-propan-2-ylanilino)-N-benzyl-N-propan-2-ylacetamide has a molecular weight of 366.51 g/mol, XLogP of 4.60, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-4-propan-2-ylanilino)-N-benzyl-N-propan-2-ylacetamide is sourced from PubChem (CID 113169817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).